1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine

C8H8ClF2N — CID 130061869

IUPAC1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine
SMILESNC(CF)c1cc(F)cc(Cl)c1
InChIInChI=1S/C8H8ClF2N/c9-6-1-5(8(12)4-10)2-7(11)3-6/h1-3,8H,4,12H2
InChIKeyJVIDQDYCYQOPOA-UHFFFAOYSA-N
MW191.61 g/mol
LogP2.45
Rot. Bonds2

About 1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine

1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine (PubChem CID 130061869) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine
PubChem CID130061869
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine
SMILESNC(CF)c1cc(F)cc(Cl)c1
InChIInChI=1S/C8H8ClF2N/c9-6-1-5(8(12)4-10)2-7(11)3-6/h1-3,8H,4,12H2
InChIKeyJVIDQDYCYQOPOA-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171224143
(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
CID 124707721
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
(1S)-1-(3-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171224175
(1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171204574
(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 103693096
2-azido-1-(3-chloro-5-fluorophenyl)ethanamine
CID 175160008
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol
CID 130683102
(1S)-1-(3-chloro-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311631
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride
CID 171262344
(1S,2R)-1-amino-1-(3-chloro-5-fluorophenyl)-3-methylpentan-2-ol
CID 171268040

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine (CID 130061869) is 1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine is NC(CF)c1cc(F)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine?
The InChIKey is JVIDQDYCYQOPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c9-6-1-5(8(12)4-10)2-7(11)3-6/h1-3,8H,4,12H2.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine?
1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine has a molecular weight of 191.61 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine is sourced from PubChem (CID 130061869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).